Acetone-D6

• Formula: C₃D₆O
• Molecular weight: 64.1161
• IUPAC Standard InChI: InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3 Copy

  
• IUPAC Standard InChIKey: CSCPPACGZOOCGX-WFGJKAKNSA-N Copy
• CAS Registry Number: 666-52-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Isotopologues:
  • Acetone
• Other names: 2-Propanone-1,1,1,3,3,3-D6-; Perdeuteroacetone; (CD3)2CO; Acetone, perdeutero-; (2H6)acetone
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• Information on this page:
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Symmetry:   C_2ν     Symmetry Number σ = 2

Source: Shimanouchi, 1972

Notes

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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